CID 45099

2-(thiophen-2-yl)propan-2-amine

Structural Information

Molecular Formula
C7H11NS
SMILES
CC(C)(C1=CC=CS1)N
InChI
InChI=1S/C7H11NS/c1-7(2,8)6-4-3-5-9-6/h3-5H,8H2,1-2H3
InChIKey
JYFAHQAWCKSUOU-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

141.06122 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 129.3
[M+Na]+ 164.050438 137.6
[M-H]- 140.053944 133.0
[M+NH4]+ 159.095043 153.0
[M+K]+ 180.024378 135.5
[M+H-H2O]+ 124.058480 124.5
[M+HCOO]- 186.059421 148.8
[M+CH3COO]- 200.075071 173.7
[M+Na-2H]- 162.035886 132.7
[M]+ 141.06067142 129.3
[M]- 141.06176858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe